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CHEBI:206229 - Discoipyrrole D

ChEBI IDCHEBI:206229
ChEBI NameDiscoipyrrole D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H34N2O7
Net Charge0
Average Mass630.697
Monoisotopic Mass630.23660
SMILESCC(C)CC12OC(=O)c3cc([C@H](c4cnc5ccccc45)[C@H](O)CO)ccc3N1C(c1ccc(O)cc1)=C(c1ccc(O)cc1)C2=O
InChIInChI=1S/C38H34N2O7/c1-21(2)18-38-36(45)34(22-7-12-25(42)13-8-22)35(23-9-14-26(43)15-10-23)40(38)31-16-11-24(17-28(31)37(46)47-38)33(32(44)20-41)29-19-39-30-6-4-3-5-27(29)30/h3-17,19,21,32-33,39,41-44H,18,20H2,1-2H3/t32-,33-,38?/m1/s1
InChIKeyJGLJZSBEIRXXGB-YYHYZNNJSA-N
Species of MetaboliteComponentSourceComments
Shouchella hunanensis (ncbitaxon:766894) - PubMed (23984625)
ChEBI Ontology
Outgoing Relation(s)
Discoipyrrole D (CHEBI:206229) is a stilbenoid (CHEBI:26776)
IUPAC Name 
7-[(1R,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1,2-bis(4-hydroxyphenyl)-3a-(2-methylpropyl)pyrrolo[1,2-a][3,1]benzoxazine-3,5-dione
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